1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline

C25H18F3N3 — CID 20852513

IUPAC1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline
SMILESCc1ccc(-n2nc(-c3ccccc3)c3cnc4cc(C(F)(F)F)ccc4c32)cc1C
InChIInChI=1S/C25H18F3N3/c1-15-8-10-19(12-16(15)2)31-24-20-11-9-18(25(26,27)28)13-22(20)29-14-21(24)23(30-31)17-6-4-3-5-7-17/h3-14H,1-2H3
InChIKeyLPNZRZVIZRQWMF-UHFFFAOYSA-N
MW417.43 g/mol
LogP6.88
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline

1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline (PubChem CID 20852513) has the molecular formula C25H18F3N3 and a molecular weight of 417.43 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline
PubChem CID20852513
Molecular FormulaC25H18F3N3
Molecular Weight417.43 g/mol
Exact Mass417.15
IUPAC Name1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline
SMILESCc1ccc(-n2nc(-c3ccccc3)c3cnc4cc(C(F)(F)F)ccc4c32)cc1C
InChIInChI=1S/C25H18F3N3/c1-15-8-10-19(12-16(15)2)31-24-20-11-9-18(25(26,27)28)13-22(20)29-14-21(24)23(30-31)17-6-4-3-5-7-17/h3-14H,1-2H3
InChIKeyLPNZRZVIZRQWMF-UHFFFAOYSA-N
XLogP6.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.43
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline (CID 20852513) is 1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline is Cc1ccc(-n2nc(-c3ccccc3)c3cnc4cc(C(F)(F)F)ccc4c32)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
The InChIKey is LPNZRZVIZRQWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N3/c1-15-8-10-19(12-16(15)2)31-24-20-11-9-18(25(26,27)28)13-22(20)29-14-21(24)23(30-31)17-6-4-3-5-7-17/h3-14H,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline has a molecular weight of 417.43 g/mol, XLogP of 6.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).